SCHEMBL10035539

SCHEMBL10035539

O=S(=O)(NCCCN1CCc2ccccc2C1)c1ccc(Cl)cc1Cl

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 11/20 0.65
CCR1 P32246 3/20 0.58
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HTR6 P50406 2/20 0.52
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
HTR1A P08908 1/20 0.49
DRD2 P14416 1/20 0.49
HRH1 P35367 1/20 0.49
DRD3 P35462 1/20 0.49
HTR2B P41595 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL2137162 0.99 HTR7 (0.64) HTR7CCR1CYP1A2CYP2D6CYP2C9
SCHEMBL8980238 0.97 HTR7 (0.65) HTR7CCR1CYP1A2CYP2D6CYP2C9
SCHEMBL8980250 0.96 HTR7 (0.64) HTR7CCR1CYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL4227037 0.96 HTR7 (0.64) HTR7CCR1CYP1A2CYP2D6CYP2C9
SCHEMBL8982831 0.96 HTR7 (0.64) HTR7CCR1CYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL4227476 0.95 HTR7 (0.63) HTR7CCR1HTR6LMNATP53
Hydrochloric Acid SCHEMBL4217793 0.95 HTR7 (0.63) HTR7CCR1HTR6LMNATP53
SCHEMBL10035525 0.89 HTR7 (0.67) HTR7CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL8980595 0.88 HTR7 (0.65) HTR7CCR1CYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL2139732 0.88 HTR7 (0.66) HTR7CYP1A2CYP2D6CYP2C9CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148397-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-04-03 US disclosed
US-8148397-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-04-03 US disclosed
US-20090088450-A1 5-ht7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-04-02 US disclosed
US-20090088450-A1 5-ht7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-04-02 US disclosed
US-7211584-B2 5-HT7 receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-01 US disclosed
US-7211584-B2 5-HT7 receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090088450-A1 5-ht7 receptor antagonists HTR7, HTR1A, HTR5A HTR7 1/4885CCR1 1278/4885CYP1A2 579/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.